Methyl 2-formyl-3,5-dimethoxybenzoate
CAS No.：
Cat. No.: SC261762
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Product Name :Methyl 2-formyl-3,5-dimethoxybenzoate
Cat. No.: :SC261762
Purity / Specification :—
CAS No. :52344-93-1
MDL No. :—
Molecular Formula :C11H12O5
LogP :1.20
Molecular Weight :224.21
TPSA :61.8
Category :Drug Discovery
HSN Code :—
SMILES Code :COC1=CC(=C(C(=C1)OC)C=O)C(=O)OC
Melting Point :—
InChI Key : :HLWARVBOEGPPGB-UHFFFAOYSA-N
Boiling Point :No data available
Application Note
AI GeneratedGenerated by AI. Verify before use in regulatory documents.
Lipinski & ADMET Properties
Computational estimateLipinski Rule of 5
iMW ≤ 500 Da✓ 224.2 Da
LogP ≤ 5✓ 1.20
HBD ≤ 5✓ 0
HBA ≤ 10✓ 5
Max 1 violation allowed for oral bioavailability.
Drug-likeness Score
i80/100
Good drug-like profile
Predicted LogP
i1.20log units
Optimal range (0–3)
CNS Permeability
iClark model · J Pharm Sci, 1999
CNS± borderline
TPSA 61.8Ų · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−
Requires experimental confirmation.
⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.